1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide

C42H42N6O7 — CID 78042911

About 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide

1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 78042911) has the molecular formula C42H42N6O7 and a molecular weight of 742.83 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
• PubChem CID: 78042911
• Molecular Formula: C42H42N6O7
• Molecular Weight: 742.83 g/mol
• Exact Mass: 742.31
• IUPAC Name: 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
• SMILES: COC(C(=O)N1CCCC1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)C4CCCN4C(=O)C(OC)c4ccccc4)cc3)o2)cc1)c1ccccc1
• InChI: InChI=1S/C42H42N6O7/c1-53-35(27-11-5-3-6-12-27)41(51)47-25-9-15-33(47)37(49)43-31-21-17-29(18-22-31)39-45-46-40(55-39)30-19-23-32(24-20-30)44-38(50)34-16-10-26-48(34)42(52)36(54-2)28-13-7-4-8-14-28/h3-8,11-14,17-24,33-36H,9-10,15-16,25-26H2,1-2H3,(H,43,49)(H,44,50)
• InChIKey: DHNBYWQRIGFBNJ-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 156.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.83
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide (CID 78042911) is 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide is COC(C(=O)N1CCCC1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)C4CCCN4C(=O)C(OC)c4ccccc4)cc3)o2)cc1)c1ccccc1.

What is the InChIKey of 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide?

The InChIKey is DHNBYWQRIGFBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N6O7/c1-53-35(27-11-5-3-6-12-27)41(51)47-25-9-15-33(47)37(49)43-31-21-17-29(18-22-31)39-45-46-40(55-39)30-19-23-32(24-20-30)44-38(50)34-16-10-26-48(34)42(52)36(54-2)28-13-7-4-8-14-28/h3-8,11-14,17-24,33-36H,9-10,15-16,25-26H2,1-2H3,(H,43,49)(H,44,50).

What are the key properties of 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide?

1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 742.83 g/mol, XLogP of 6.04, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxy-2-phenylacetyl)-N-[4-[5-[4-[[1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78042911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).